2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C7H9N5O — CID 66273453

IUPAC2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNCCn1nc2cnccn2c1=O
InChIInChI=1S/C7H9N5O/c8-1-3-12-7(13)11-4-2-9-5-6(11)10-12/h2,4-5H,1,3,8H2
InChIKeyZTGBEPFQZBPZHF-UHFFFAOYSA-N
MW179.18 g/mol
LogP-1.15
Rot. Bonds2

About 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273453) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273453
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNCCn1nc2cnccn2c1=O
InChIInChI=1S/C7H9N5O/c8-1-3-12-7(13)11-4-2-9-5-6(11)10-12/h2,4-5H,1,3,8H2
InChIKeyZTGBEPFQZBPZHF-UHFFFAOYSA-N
XLogP-1.15
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273453) is 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is NCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZTGBEPFQZBPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c8-1-3-12-7(13)11-4-2-9-5-6(11)10-12/h2,4-5H,1,3,8H2.
What are the key properties of 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 179.18 g/mol, XLogP of -1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).